N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide

C19H40N2O3 — CID 170657119

IUPACN-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCN(CC)CC)CC(CO)CO
InChIInChI=1S/C19H40N2O3/c1-4-7-8-9-10-11-12-19(24)21(15-18(16-22)17-23)14-13-20(5-2)6-3/h18,22-23H,4-17H2,1-3H3
InChIKeyJIODCECSAUCRFS-UHFFFAOYSA-N
MW344.54 g/mol
LogP2.51
Rot. Bonds16

About N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide

N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide (PubChem CID 170657119) has the molecular formula C19H40N2O3 and a molecular weight of 344.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide
PubChem CID170657119
Molecular FormulaC19H40N2O3
Molecular Weight344.54 g/mol
Exact Mass344.30
IUPAC NameN-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCN(CC)CC)CC(CO)CO
InChIInChI=1S/C19H40N2O3/c1-4-7-8-9-10-11-12-19(24)21(15-18(16-22)17-23)14-13-20(5-2)6-3/h18,22-23H,4-17H2,1-3H3
InChIKeyJIODCECSAUCRFS-UHFFFAOYSA-N
XLogP2.51
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
CID 18999305
N-[2-(diethylamino)ethyl]-N-ethylpentacosa-10,12-diynamide;dihydrobromide
CID 173156001
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide
CID 107490939
4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide
CID 54871197
N,N-di(nonyl)octanamide
CID 533141
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dipropylnonadecanamide
CID 12960009
N,N-dioctyltetradecanamide
CID 169083302
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide (CID 170657119) is N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide is CCCCCCCCC(=O)N(CCN(CC)CC)CC(CO)CO.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide?
The InChIKey is JIODCECSAUCRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O3/c1-4-7-8-9-10-11-12-19(24)21(15-18(16-22)17-23)14-13-20(5-2)6-3/h18,22-23H,4-17H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide?
N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide has a molecular weight of 344.54 g/mol, XLogP of 2.51, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide is sourced from PubChem (CID 170657119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).